N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine

C11H16N6O — CID 50964025

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCCn1cnnc1CCNc1cc(OC)ncn1
InChIInChI=1S/C11H16N6O/c1-3-17-8-15-16-10(17)4-5-12-9-6-11(18-2)14-7-13-9/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNLSNCPKQMGFPRW-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.75
Rot. Bonds6

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine (PubChem CID 50964025) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
PubChem CID50964025
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCCn1cnnc1CCNc1cc(OC)ncn1
InChIInChI=1S/C11H16N6O/c1-3-17-8-15-16-10(17)4-5-12-9-6-11(18-2)14-7-13-9/h6-8H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNLSNCPKQMGFPRW-UHFFFAOYSA-N
XLogP0.75
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 106303319
N-[2-(3,5-difluorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66324768
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025
6-(3-aminocyclobutyl)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 91794404
N-(6-chlorohexyl)-6-methoxypyrimidin-4-amine
CID 107846090
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
6-methoxy-N-pent-3-ynylpyrimidin-4-amine
CID 116644427
2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66318514

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine (CID 50964025) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine is CCn1cnnc1CCNc1cc(OC)ncn1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine?
The InChIKey is NLSNCPKQMGFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-17-8-15-16-10(17)4-5-12-9-6-11(18-2)14-7-13-9/h6-8H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 50964025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).